SCHEMBL16645951

SCHEMBL16645951

COc1cccc(Cc2cc(=O)n3c(C(N)=O)c(C)sc3n2)c1F

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 19/20 0.56
GRIN2A Q12879 19/20 0.56
GRIA2 P42262 10/20 0.56
TP53 P04637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17958263 0.87 GRIN1 (0.75) GRIN1GRIN2AGRIA2
SCHEMBL16636460 0.85 GRIN1 (0.77) GRIN1GRIN2AGRIA2
SCHEMBL16645478 0.84 GRIN1 (0.77) GRIN1GRIN2AGRIA2
SCHEMBL16645749 0.82 GRIN1 (0.54) GRIN1GRIN2AGRIA2
SCHEMBL16645488 0.79 GRIN1 (0.51) GRIN1GRIN2AGRIA2
SCHEMBL16636277 0.77 GRIN1 (0.77) GRIN1GRIN2AGRIA2
SCHEMBL16636494 0.77 GRIN1 (0.66) GRIN1GRIN2AGRIA2
SCHEMBL17958250 0.77 GRIN1 (0.66) GRIN1GRIN2AGRIA2
SCHEMBL16645502 0.76 GRIN1 (0.47) GRIN1GRIN2AGRIA2
SCHEMBL16636640 0.76 GRIN1 (0.78) GRIN1GRIN2AGRIA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed